CID 59444383

Cannabigerovarinic acid

Structural Information

Molecular Formula
C20H28O4
SMILES
CCCC1=CC(=C(C(=C1C(=O)O)O)C/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C20H28O4/c1-5-7-15-12-17(21)16(19(22)18(15)20(23)24)11-10-14(4)9-6-8-13(2)3/h8,10,12,21-22H,5-7,9,11H2,1-4H3,(H,23,24)/b14-10+
InChIKey
FAVCTJGKHFHFHJ-GXDHUFHOSA-N
Compound name
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-propylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1628
Patents

332.19876 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 182.0
[M+Na]+ 355.18798 187.0
[M-H]- 331.19148 181.1
[M+NH4]+ 350.23258 194.4
[M+K]+ 371.16192 182.1
[M+H-H2O]+ 315.19602 176.0
[M+HCOO]- 377.19696 196.7
[M+CH3COO]- 391.21261 208.9
[M+Na-2H]- 353.17343 176.6
[M]+ 332.19821 183.4
[M]- 332.19931 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.